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- PDB-6z2h: Citryl-CoA lyase module of human ATP citrate lyase in complex wit... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6z2h | ||||||
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Title | Citryl-CoA lyase module of human ATP citrate lyase in complex with (3S)-citryl-CoA. | ||||||
![]() | ATP-citrate synthase | ||||||
![]() | LYASE / acetyl-CoA production / metabolism / atp citrate lyase / lipogenesis | ||||||
Function / homology | ![]() ATP citrate synthase activity / ATP citrate synthase / Fatty acyl-CoA biosynthesis / citrate metabolic process / ChREBP activates metabolic gene expression / acetyl-CoA biosynthetic process / coenzyme A metabolic process / oxaloacetate metabolic process / lipid biosynthetic process / cholesterol biosynthetic process ...ATP citrate synthase activity / ATP citrate synthase / Fatty acyl-CoA biosynthesis / citrate metabolic process / ChREBP activates metabolic gene expression / acetyl-CoA biosynthetic process / coenzyme A metabolic process / oxaloacetate metabolic process / lipid biosynthetic process / cholesterol biosynthetic process / tricarboxylic acid cycle / fatty acid biosynthetic process / azurophil granule lumen / ficolin-1-rich granule lumen / Neutrophil degranulation / extracellular exosome / extracellular region / nucleoplasm / ATP binding / membrane / metal ion binding / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Verschueren, K.H.G. / Verstraete, K. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase. Authors: Verstraete, K. / Verschueren, K.H.G. / Dansercoer, A. / Savvides, S.N. #1: Journal: Acta Crystallogr. D Biol. Crystallogr. / Year: 2012 Title: Towards automated crystallographic structure refinement with phenix.refine. Authors: Afonine, P.V. / Grosse-Kunstleve, R.W. / Echols, N. / Headd, J.J. / Moriarty, N.W. / Mustyakimov, M. / Terwilliger, T.C. / Urzhumtsev, A. / Zwart, P.H. / Adams, P.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 507 KB | Display | ![]() |
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PDB format | ![]() | 340.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.3 MB | Display | ![]() |
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Full document | ![]() | 2.3 MB | Display | |
Data in XML | ![]() | 46.3 KB | Display | |
Data in CIF | ![]() | 65.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6znwC ![]() 6hxlS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 30008.025 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: Prior to crystallisation, the N-terminal His-tag (MGSSHHHHHHSSGLVPR) was removed by thrombin cleavage. Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.21 Å3/Da / Density % sol: 44.3 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 0.2 M sodium actetate pH 7.0 20 % PEG3350 65 mM oxaloacetate 7 mM acetyl-CoA |
-Data collection
Diffraction | Mean temperature: 100 K / Ambient temp details: N2 Cryostream / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Feb 17, 2018 Details: Cryogenically cooled channel cut crystal monochromator, a convex prefocussing mirror and a Kirkpatrick-Baez pair of focussing mirrors |
Radiation | Monochromator: Si[111] / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→50 Å / Num. obs: 105289 / % possible obs: 99.7 % / Redundancy: 15.06 % / Biso Wilson estimate: 20.86 Å2 / CC1/2: 0.999 / Rrim(I) all: 0.15 / Net I/σ(I): 15.02 |
Reflection shell | Resolution: 1.8→1.91 Å / Mean I/σ(I) obs: 1.85 / Num. unique obs: 16581 / CC1/2: 0.782 / Rrim(I) all: 1.208 / % possible all: 98.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6hxl Resolution: 1.8→44.28 Å / SU ML: 0.1839 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 18.7386 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.95 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→44.28 Å
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Refine LS restraints |
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LS refinement shell |
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